About N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide (PubChem CID 129048928) has the molecular formula C50H93N11O14
and a molecular weight of 1072.36 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide.
Molecular Properties
| Compound Name | N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide |
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| PubChem CID | 129048928 |
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| Molecular Formula | C50H93N11O14 |
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| Molecular Weight | 1072.36 g/mol |
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| Exact Mass | 1071.69 |
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| IUPAC Name | N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide |
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| SMILES | CC(O)CN(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)C(C)C)C(C)C)CC(C)O)CC(C)O)C(C)C)C(C)C)CC(C)O)C(=O)CN(C(=O)CNC(C)C)C(C)C |
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| InChI | InChI=1S/C50H93N11O14/c1-31(2)52-17-42(67)58(33(5)6)27-45(70)53(18-37(13)62)23-43(68)56(21-40(16)65)26-48(73)61(36(11)12)30-50(75)59(34(7)8)28-46(71)54(19-38(14)63)24-44(69)55(20-39(15)64)25-47(72)60(35(9)10)29-49(74)57(32(3)4)22-41(51)66/h31-40,52,62-65H,17-30H2,1-16H3,(H2,51,66) |
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| InChIKey | MPWPQIZJIOSJQF-UHFFFAOYSA-N |
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| XLogP | -2.51 |
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| TPSA | 318.83 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 15 |
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| Rotatable Bonds | 34 |
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| Heavy Atoms | 75 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1072.36 |
| LogP ≤ 5 | -2.51 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 15 |
Analyze N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide (CID 129048928) is N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide is CC(O)CN(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)C(C)C)C(C)C)CC(C)O)CC(C)O)C(C)C)C(C)C)CC(C)O)C(=O)CN(C(=O)CNC(C)C)C(C)C.
What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide?
The InChIKey is MPWPQIZJIOSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H93N11O14/c1-31(2)52-17-42(67)58(33(5)6)27-45(70)53(18-37(13)62)23-43(68)56(21-40(16)65)26-48(73)61(36(11)12)30-50(75)59(34(7)8)28-46(71)54(19-38(14)63)24-44(69)55(20-39(15)64)25-47(72)60(35(9)10)29-49(74)57(32(3)4)22-41(51)66/h31-40,52,62-65H,17-30H2,1-16H3,(H2,51,66).
What are the key properties of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide?
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide has a molecular weight of 1072.36 g/mol, XLogP of -2.51, 34 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 129048928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).